Canmetcon
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Identification
YMDB IDYMDB16258
Name2-aminoprop-2-enoate
SpeciesNot Available
StrainBrewer's yeast
DescriptionNot Available
Structure
Thumb
Synonyms
  • 2,3-Didehydroalaninate
  • 2-Aminoacrylate anion
  • 2-Aminoacrylate(1-)
  • 2-Aminoprop-2-enoate anion
  • 2-Aminoprop-2-enoate(1-)
  • alpha,beta-Didehydroalaninate
  • 2,3-Didehydroalaninic acid
  • 2-Aminoacrylic acid anion
  • 2-Aminoacrylic acid(1-)
  • 2-Aminoprop-2-enoic acid anion
  • 2-Aminoprop-2-enoic acid(1-)
  • a,b-Didehydroalaninate
  • a,b-Didehydroalaninic acid
  • alpha,beta-Didehydroalaninic acid
  • Α,β-didehydroalaninate
  • Α,β-didehydroalaninic acid
  • 2-Aminoprop-2-enoic acid
  • alpha-Aminoacrylate
  • alpha,beta-Dehydroalanine
  • Dehydroalanine
CAS numberNot Available
WeightAverage: 86.071
Monoisotopic: 86.024751953
InChI KeyUQBOJOOOTLPNST-UHFFFAOYSA-M
InChIInChI=1S/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)/p-1
IUPAC Name2-aminoprop-2-enoate
Traditional IUPAC Nameα-aminoacrylate
Chemical FormulaC3H4NO2
SMILESNC(=C)C([O-])=O
Chemical Taxonomy
Description belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Amino acid
  • Carboxylic acid
  • Enamine
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic anion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateNot Available
Charge-1
Melting pointNot Available
Experimental Properties
PropertyValueReference
Water SolubilityNot AvailablePhysProp
LogPNot AvailablePhysProp
Predicted Properties
PropertyValueSource
Water Solubility262 g/LALOGPS
logP-0.37ALOGPS
logP-2.9ChemAxon
logS0.4ALOGPS
pKa (Strongest Acidic)2.58ChemAxon
pKa (Strongest Basic)8.64ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area66.15 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity31.75 m³·mol⁻¹ChemAxon
Polarizability7.32 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular LocationsNot Available
Organoleptic PropertiesNot Available
SMPDB Pathways
Cysteine MetabolismPW002383 ThumbThumb?image type=greyscaleThumb?image type=simple
serine metabolismPW002402 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG PathwaysNot Available
SMPDB Reactions
L-CysteineHydrogen sulfide + hydron + 2-aminoprop-2-enoate
L-Serinewater + hydron + 2-aminoprop-2-enoate
KEGG ReactionsNot Available
Concentrations
Intracellular ConcentrationsNot Available
Extracellular ConcentrationsNot Available
Spectra
Spectra
References
References:Not Available
Synthesis Reference:Not Available
External Links:
ResourceLink
CHEBI ID58020
HMDB IDNot Available
Pubchem Compound ID22022579
Kegg IDNot Available
ChemSpider IDNot Available
FOODB IDNot Available
Wikipedia IDNot Available
BioCyc IDNot Available

Enzymes

General function:
Involved in pyridoxal phosphate binding
Specific function:
L-cystathionine + H(2)O = L-cysteine + NH(3) + 2-oxobutanoate
Gene Name:
CYS3
Uniprot ID:
P31373
Molecular weight:
42541.69922
Reactions
L-cystathionine + H(2)O → L-cysteine + NH(3) + 2-oxobutanoate.
General function:
Involved in catalytic activity
Specific function:
L-serine = pyruvate + NH(3)
Gene Name:
CHA1
Uniprot ID:
P25379
Molecular weight:
39301.0
Reactions
L-serine → pyruvate + NH(3).
L-threonine → 2-oxobutanoate + NH(3).